Subject: Gamess and HOMO / LUMO energies

From: "Adrian Stevens" <[email-masked]>
Date: Thu, 1 Aug 2002 11:43:20 +0100

Hi All,

Sorry for a QM-newbie question, but I've just obtained a copy of PC-Gamess
and wanted to calculate and compare a set of HOMO-LUMO energies.  However, I
haven't been able to find the right function yet in the manual.

Any help appreciated.

Many thanks,

A.

==================================================
Dr Adrian Stevens
Research Fellow,
 
Computational Chemistry Group,
Molecular Informatics Department,
BioFocus plc. 
Sittingbourne Research Centre, 
Sittingbourne, 
Kent, ME9 8AZ 
Tel. +44/0 1795 412300 
Fax. +44/0 1795 471123

e-mail: [email-masked] 
Web: <http://www.biofocus.com>

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